| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:01:56 UTC |
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| Update Date | 2025-03-21 18:07:02 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00066774 |
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| Frequency | 45.6 |
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| Structure | |
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| Chemical Formula | C16H24O3 |
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| Molecular Mass | 264.1725 |
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| SMILES | CCC(CCC(C)O)COC(=O)c1ccccc1C |
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| InChI Key | KDZDCEWAZZIPRX-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | benzoic acids and derivatives |
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| Direct Parent | benzoic acid esters |
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| Geometric Descriptor | aromatic homomonocyclic compounds |
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| Alternative Parents | benzoyl derivativescarboxylic acid estersfatty alcoholshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidessecondary alcoholstoluenes |
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| Substituents | alcoholfatty acylbenzoylbenzoate estercarboxylic acid derivativearomatic homomonocyclic compoundorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundfatty alcoholcarboxylic acid estersecondary alcoholhydrocarbon derivativetolueneorganooxygen compound |
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